3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide

C18H20N2O4 — CID 97023104

IUPAC3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide
SMILESC[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1
InChIInChI=1S/C18H20N2O4/c1-11-9-15(11)16-7-5-14(24-16)6-8-17(22)19-20-18(23)12-3-2-4-13(21)10-12/h2-5,7,10-11,15,21H,6,8-9H2,1H3,(H,19,22)(H,20,23)/t11-,15-/m0/s1
InChIKeySETOCIGDGQRTFG-NHYWBVRUSA-N
MW328.37 g/mol
LogP2.50
Rot. Bonds5

About 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide

3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide (PubChem CID 97023104) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide
PubChem CID97023104
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide
SMILESC[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1
InChIInChI=1S/C18H20N2O4/c1-11-9-15(11)16-7-5-14(24-16)6-8-17(22)19-20-18(23)12-3-2-4-13(21)10-12/h2-5,7,10-11,15,21H,6,8-9H2,1H3,(H,19,22)(H,20,23)/t11-,15-/m0/s1
InChIKeySETOCIGDGQRTFG-NHYWBVRUSA-N
XLogP2.50
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide?
The IUPAC name of 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide (CID 97023104) is 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide?
The canonical SMILES for 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide is C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2cccc(O)c2)o1.
What is the InChIKey of 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide?
The InChIKey is SETOCIGDGQRTFG-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-9-15(11)16-7-5-14(24-16)6-8-17(22)19-20-18(23)12-3-2-4-13(21)10-12/h2-5,7,10-11,15,21H,6,8-9H2,1H3,(H,19,22)(H,20,23)/t11-,15-/m0/s1.
What are the key properties of 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide?
3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide has a molecular weight of 328.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide is sourced from PubChem (CID 97023104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).